SCHEMBL1876758

SCHEMBL1876758

Cn1c(-c2ccccc2)nnc1C(C)(C)CCCO

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.44
TSHR P16473 2/20 0.42
DRD2 P14416 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
DRD3 P35462 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1875257 0.79 HSD11B1 (0.40) HSD11B1TSHRDRD2DRD3TP53
SCHEMBL1881964 0.77 HSD11B1 (0.52) HSD11B1TSHRDRD2TDP1DRD3
SCHEMBL19798383 0.76 HSD11B1 (0.50) HSD11B1TSHRDRD2L3MBTL1
SCHEMBL1877396 0.75 HSD11B1 (0.42) HSD11B1TSHRDRD2L3MBTL1
SCHEMBL822698 0.70 HSD11B1 (0.68) HSD11B1TSHRDRD2L3MBTL1
SCHEMBL3648972 0.68 HDAC6 (0.52) HSD11B1TSHRDRD2TP53L3MBTL1
SCHEMBL6676497 0.67 TAAR1 (0.50) DRD3CNR1CNR2
SCHEMBL1870756 0.67 HSD11B1 (0.45) HSD11B1TSHRDRD2DRD3L3MBTL1
SCHEMBL1883023 0.67 HSD11B1 (0.45) HSD11B1TSHRDRD2DRD3TP53
SCHEMBL889637 0.65 HSD11B1 (0.56) HSD11B1TSHRDRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947683-B2 3-(1,2,4-triazol-3-ylalkyl) azabicyclo (3.1.0) hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMTED (GB) 2011-05-24 US disclosed
US-7947683-B2 3-(1,2,4-triazol-3-ylalkyl) azabicyclo (3.1.0) hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMTED (GB) 2011-05-24 US disclosed
US-7947683-B2 3-(1,2,4-triazol-3-ylalkyl) azabicyclo (3.1.0) hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMTED (GB) 2011-05-24 US disclosed
US-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 US disclosed
US-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 US disclosed
US-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 US disclosed
EP-1869017-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
WO-2006108701-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed
WO-2006108701-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, HTR3C, TACR2 HSD11B1 423/4885TSHR 56/4885DRD2 11/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.